4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonamide

Systemtic Name: 4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonamide Openeye Name: 4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonamide CAS Name: 4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonamide IUPAC Name: 4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonamide Traditional Name: 4-[4-(3,4-dimethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzenesulfonamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)S(=O)(=O)N)OC

InChI

InChI=1S/C22H23N3O5S/c1-29-19-12-7-14(13-20(19)30-2)21-17-5-3-4-6-18(17)22(26)25(24-21)15-8-10-16(11-9-15)31(23,27)28/h3-4,7-13,17-18H,5-6H2,1-2H3,(H2,23,27,28)